(2S)-N-(2-chloranyl-5-nitro-phenyl)-2-ethyl-piperidine-1-carbothioamide

Systemtic Name: (2S)-N-(2-chloranyl-5-nitro-phenyl)-2-ethyl-piperidine-1-carbothioamide Openeye Name: (2S)-N-(2-chloro-5-nitro-phenyl)-2-ethyl-piperidine-1-carbothioamide CAS Name: (2S)-N-(2-chloro-5-nitrophenyl)-2-ethyl-1-piperidinecarbothioamide IUPAC Name: (2S)-N-(2-chloro-5-nitrophenyl)-2-ethylpiperidine-1-carbothioamide Traditional Name: (2S)-N-(2-chloro-5-nitro-phenyl)-2-ethyl-piperidine-1-carbothioamide Formula: C14H18ClN3O2S MolecularWeight: 327.82962

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCCN1C(=S)NC2=C(C=CC(=C2)[N+](=O)[O-])Cl

Isomeric SMILES

CC[C@H]1CCCCN1C(=S)NC2=C(C=CC(=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C14H18ClN3O2S/c1-2-10-5-3-4-8-17(10)14(21)16-13-9-11(18(19)20)6-7-12(13)15/h6-7,9-10H,2-5,8H2,1H3,(H,16,21)/t10-/m0/s1